SCHEMBL8895488

SCHEMBL8895488

CCCN(CCC)C(=O)c1ccc(OCCCOc2c(CC)cc(OCC=C(Cl)Cl)cc2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
F2 P00734 4/20 0.37
PLA2G4B P0C869 1/20 0.37
MLYCD O95822 1/20 0.37
HPGD P15428 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8895634 0.98 POLB (0.40) POLBHTTEGFRERBB2MAPT
SCHEMBL8895163 0.94 POLB (0.37) POLBHTTEGFRERBB2MAPT
SCHEMBL8894492 0.92 POLB (0.37) POLBHTTEGFRERBB2MAPT
SCHEMBL8895295 0.90 POLB (0.40) POLBHTTEGFRERBB2MAPT
SCHEMBL8895854 0.88 HTT (0.38) POLBHTTMAPTHRH3F2
SCHEMBL8895462 0.87 MAOB (0.40) POLBHTTMAPTHRH3PLA2G4B
SCHEMBL8895659 0.87 THRB (0.40) POLBHTTEGFRERBB2PLA2G4B
SCHEMBL8896466 0.86 LSS (0.39) POLBHTTMAPTHRH3F2
SCHEMBL8897483 0.85 MAOB (0.42) POLBHTTMAPTHRH3BCHE
SCHEMBL8896291 0.85 TSHR (0.43) POLBHTTEGFRERBB2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed